pentan-3-yl-[2-[2,4,6-tris(oxidanylidene)-3-(phenylmethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl]ethyl]azanium iodide

Systemtic Name: pentan-3-yl-[2-[2,4,6-tris(oxidanylidene)-3-(phenylmethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl]ethyl]azanium iodide Openeye Name: 2-(5-allyl-3-benzyl-5-isopropyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)ethyl-(1-ethylpropyl)ammonium iodide CAS Name: pentan-3-yl-[2-[2,4,6-trioxo-3-(phenylmethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl]ethyl]ammonium iodide IUPAC Name: 2-(3-benzyl-2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)ethyl-pentan-3-ylazanium iodide Traditional Name: 2-(5-allyl-3-benzyl-5-isopropyl-2,4,6-triketo-hexahydropyrimidin-1-yl)ethyl-(1-ethylpropyl)ammonium iodide Formula: C24H36IN3O3 MolecularWeight: 541.46541

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C.[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)C(C)C.[I-]

InChI

InChI=1S/C24H35N3O3.HI/c1-6-14-24(18(4)5)21(28)26(16-15-25-20(7-2)8-3)23(30)27(22(24)29)17-19-12-10-9-11-13-19;/h6,9-13,18,20,25H,1,7-8,14-17H2,2-5H3;1H